UCSF

ZINC01405438

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 12 Yes

Popular Name: trans-4-Propylcyclohexanecarboxylic acid trans-4-Propylcyclohexanecarboxy…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 38289-27-9 , 70928-91-5 , 91328-77-7 , [38289-27-9]

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.86 6.33 -48.43 0 2 -1 40 169.244 3 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 101 - 103 KeyOrganics
Melting_Point 97-100? Alfa-Aesar
MP 98 TCI
Purity 98% Fluorochem

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )